(E)-3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C23H26N3O5ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C23H26N3O5ClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H26ClN3O5S/c24-20-4-2-1-3-18(20)5-8-23(28)25-21-17-19(33(29,30)27-11-15-32-16-12-27)6-7-22(21)26-9-13-31-14-10-26/h1-8,17H,9-16H2,(H,25,28) |
| InChIK | OEWAEEPGOYBSDY-UHFFFAOYSA-N |
| TotalMolweight | 491.994 |
| Molweight | 491.994 |
| MonoisotopicMass | 491.128169 |
| CLogP | 2.4541 |
| CLogS | -3.543 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 356.41 |
| Relative PSA | 0.22497 |
| PolarSurfaceArea | 96.56 |
| Druglikeness | 3.0372 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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